2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide

C16H14Cl4N2O — CID 7024765

IUPAC2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C16H14Cl4N2O/c1-10-5-2-3-8-13(10)14(23)22-15(16(18,19)20)21-12-7-4-6-11(17)9-12/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1
InChIKeySWMICQXKZJLWNN-OAHLLOKOSA-N
MW392.11 g/mol
LogP5.19
Rot. Bonds4

About 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide

2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide (PubChem CID 7024765) has the molecular formula C16H14Cl4N2O and a molecular weight of 392.11 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide
PubChem CID7024765
Molecular FormulaC16H14Cl4N2O
Molecular Weight392.11 g/mol
Exact Mass389.99
IUPAC Name2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C16H14Cl4N2O/c1-10-5-2-3-8-13(10)14(23)22-15(16(18,19)20)21-12-7-4-6-11(17)9-12/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1
InChIKeySWMICQXKZJLWNN-OAHLLOKOSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.11
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1S)-2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2135183
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-2-methylbenzamide
CID 812854
2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide
CID 3092691
2-methyl-N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 2843811
2-methyl-N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]benzamide
CID 3092480
2-methyl-N-[2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]benzamide
CID 2829995
N-[2,2,2-trichloro-1-(3-chloroanilino)ethyl]octanamide
CID 3145489
2-methyl-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 3092501
2-methyl-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 4549022
2-chloro-N-[(1S)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381280
2-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide
CID 2829994
2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide (CID 7024765) is 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide is Cc1ccccc1C(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide?
The InChIKey is SWMICQXKZJLWNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl4N2O/c1-10-5-2-3-8-13(10)14(23)22-15(16(18,19)20)21-12-7-4-6-11(17)9-12/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide?
2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide has a molecular weight of 392.11 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide is sourced from PubChem (CID 7024765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).